CID 6012170

(e)-n-(2-ethylphenyl)-3-(5-nitrothiophen-2-yl)prop-2-enamide

Structural Information

Molecular Formula
C15H14N2O3S
SMILES
CCC1=CC=CC=C1NC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C15H14N2O3S/c1-2-11-5-3-4-6-13(11)16-14(18)9-7-12-8-10-15(21-12)17(19)20/h3-10H,2H2,1H3,(H,16,18)/b9-7+
InChIKey
YTQHWWVZNNZOIK-VQHVLOKHSA-N
Compound name
(E)-N-(2-ethylphenyl)-3-(5-nitrothiophen-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0725 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07978 170.0
[M+Na]+ 325.06172 175.6
[M-H]- 301.06522 176.8
[M+NH4]+ 320.10632 185.9
[M+K]+ 341.03566 166.7
[M+H-H2O]+ 285.06976 167.1
[M+HCOO]- 347.07070 191.0
[M+CH3COO]- 361.08635 196.6
[M+Na-2H]- 323.04717 171.7
[M]+ 302.07195 169.9
[M]- 302.07305 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.